Rhodiocyanoside A

Catalog Number	ACM168433861
CAS Number	168433-86-1
Molecular Weight	259.26
InChI	InChI=1S/C11H17NO6/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-11,13-16H,3,5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1
InChI Key	ZMELGIPFIBWPHX-GMLQCYRESA-N
Purity	95%+
Complexity	349
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	259.10558726
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isomeric SMILES	C/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C#N
Monoisotopic Mass	259.10558726
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	123 Ų

Custom Q&A

What is the product name of the compound with the CAS number 168433-86-1?

The product name is rhodiocyanoside A.

What are the synonyms of rhodiocyanoside A?

The synonyms include: 2-Butenenitrile, 4-(β-D-glucopyranosyloxy)-2-methyl-, (2Z)-

What is the molecular formula of rhodiocyanoside A?

The molecular formula is C11H17NO6.

What is the molecular weight of rhodiocyanoside A?

The molecular weight is 259.26 g/mol.

What is the predicted boiling point of rhodiocyanoside A?

The predicted boiling point is 533.3±50.0 °C.

What is the predicted density of rhodiocyanoside A?

The predicted density is 1.40±0.1 g/cm3.

What is the predicted pka value of rhodiocyanoside A?

The predicted pka value is 12.83±0.70.

Where is rhodiocyanoside A isolated from?

Rhodiocyanoside A is isolated from Rhodiola quadrifida.

What activity does rhodiocyanoside A exhibit?

It exhibits anti-allergic activity.

What are the roles of rhodiocyanoside A?

It acts as a metabolite and an anti-allergic agent.

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